3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide

C16H10ClN3O4 — CID 75425611

IUPAC3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C16H10ClN3O4/c17-12-8-4-7-11(15(12)20(22)23)16(21)18-14-9-13(24-19-14)10-5-2-1-3-6-10/h1-9H,(H,18,19,21)
InChIKeyKBKZJGBYONWPDG-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.16
Rot. Bonds4

About 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide

3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide (PubChem CID 75425611) has the molecular formula C16H10ClN3O4 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide
PubChem CID75425611
Molecular FormulaC16H10ClN3O4
Molecular Weight343.73 g/mol
Exact Mass343.04
IUPAC Name3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C16H10ClN3O4/c17-12-8-4-7-11(15(12)20(22)23)16(21)18-14-9-13(24-19-14)10-5-2-1-3-6-10/h1-9H,(H,18,19,21)
InChIKeyKBKZJGBYONWPDG-UHFFFAOYSA-N
XLogP4.16
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide
CID 79829756
3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitrobenzamide
CID 79831310
N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962282
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819
(2R)-2-[(3-chloro-2-nitrobenzoyl)amino]butanoic acid
CID 103804465
3-chloro-N-(2-methylsulfanylphenyl)-2-nitrobenzamide
CID 79836155
3-chloro-2-nitro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79833326
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide (CID 75425611) is 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide is O=C(Nc1cc(-c2ccccc2)on1)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is KBKZJGBYONWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O4/c17-12-8-4-7-11(15(12)20(22)23)16(21)18-14-9-13(24-19-14)10-5-2-1-3-6-10/h1-9H,(H,18,19,21).
What are the key properties of 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide?
3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 343.73 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-nitro-N-(5-phenyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 75425611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).